sodium 2-[(4S)-4-[[2-(4-chlorophenyl)-2-hydroxyacetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate

C16H14ClN2NaO8 — CID 23696152

IUPACsodium 2-[(4S)-4-[[2-(4-chlorophenyl)-2-hydroxyacetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate
SMILESO=C1CCC(C(=O)[O-])(N2OC[C@H](NC(=O)C(O)c3ccc(Cl)cc3)C2=O)O1.[Na+]
InChIInChI=1S/C16H15ClN2O8.Na/c17-9-3-1-8(2-4-9)12(21)13(22)18-10-7-26-19(14(10)23)16(15(24)25)6-5-11(20)27-16;/h1-4,10,12,21H,5-7H2,(H,18,22)(H,24,25);/q;+1/p-1/t10-,12?,16?;/m0./s1
InChIKeyXKFAZHJSNUCFOZ-UWZNJIPISA-M
MW420.74 g/mol
LogP-4.58
Rot. Bonds5

About sodium 2-[(4S)-4-[[2-(4-chlorophenyl)-2-hydroxyacetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate

sodium 2-[(4S)-4-[[2-(4-chlorophenyl)-2-hydroxyacetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate (PubChem CID 23696152) has the molecular formula C16H14ClN2NaO8 and a molecular weight of 420.74 g/mol. Its IUPAC name is sodium 2-[(4S)-4-[[2-(4-chlorophenyl)-2-hydroxyacetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate.

Molecular Properties

Compound Namesodium 2-[(4S)-4-[[2-(4-chlorophenyl)-2-hydroxyacetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate
PubChem CID23696152
Molecular FormulaC16H14ClN2NaO8
Molecular Weight420.74 g/mol
Exact Mass420.03
IUPAC Namesodium 2-[(4S)-4-[[2-(4-chlorophenyl)-2-hydroxyacetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate
SMILESO=C1CCC(C(=O)[O-])(N2OC[C@H](NC(=O)C(O)c3ccc(Cl)cc3)C2=O)O1.[Na+]
InChIInChI=1S/C16H15ClN2O8.Na/c17-9-3-1-8(2-4-9)12(21)13(22)18-10-7-26-19(14(10)23)16(15(24)25)6-5-11(20)27-16;/h1-4,10,12,21H,5-7H2,(H,18,22)(H,24,25);/q;+1/p-1/t10-,12?,16?;/m0./s1
InChIKeyXKFAZHJSNUCFOZ-UWZNJIPISA-M
XLogP-4.58
TPSA145.30 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.74
LogP ≤ 5-4.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of sodium 2-[(4S)-4-[[2-(4-chlorophenyl)-2-hydroxyacetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate?
The IUPAC name of sodium 2-[(4S)-4-[[2-(4-chlorophenyl)-2-hydroxyacetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate (CID 23696152) is sodium 2-[(4S)-4-[[2-(4-chlorophenyl)-2-hydroxyacetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate.
What is the SMILES notation for sodium 2-[(4S)-4-[[2-(4-chlorophenyl)-2-hydroxyacetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate?
The canonical SMILES for sodium 2-[(4S)-4-[[2-(4-chlorophenyl)-2-hydroxyacetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate is O=C1CCC(C(=O)[O-])(N2OC[C@H](NC(=O)C(O)c3ccc(Cl)cc3)C2=O)O1.[Na+].
What is the InChIKey of sodium 2-[(4S)-4-[[2-(4-chlorophenyl)-2-hydroxyacetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate?
The InChIKey is XKFAZHJSNUCFOZ-UWZNJIPISA-M. The full InChI is InChI=1S/C16H15ClN2O8.Na/c17-9-3-1-8(2-4-9)12(21)13(22)18-10-7-26-19(14(10)23)16(15(24)25)6-5-11(20)27-16;/h1-4,10,12,21H,5-7H2,(H,18,22)(H,24,25);/q;+1/p-1/t10-,12?,16?;/m0./s1.
What are the key properties of sodium 2-[(4S)-4-[[2-(4-chlorophenyl)-2-hydroxyacetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate?
sodium 2-[(4S)-4-[[2-(4-chlorophenyl)-2-hydroxyacetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate has a molecular weight of 420.74 g/mol, XLogP of -4.58, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-[(4S)-4-[[2-(4-chlorophenyl)-2-hydroxyacetyl]amino]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylate is sourced from PubChem (CID 23696152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).